Virtual screening for the identification of novel inhibitors of Mycobacterium tuberculosis cell wall synthesis: Inhibitors targeting RmlB and RmlC

Computers in Biology and Medicine

Volumn 58, Issue , 2015, Pages 110-117

  Ren, Ji Xia ^a,b   Qian, Huo Lian ^a   Huang, Yu Xin ^a   Zhu, Ning Yu ^c   Si, Shu Yi ^c   Xie, Yong ^a  

^a INSTITUTE OF MEDICINAL PLANT DEVELOPMENT   (China)

^b LIAOCHENG UNIVERSITY   (China)

^c INSTITUTE OF MEDICINAL BIOTECHNOLOGY   (China)

Author keywords

ADMET properties; Molecular docking; Pharmacophore model; RmlB; RmlC; Virtual screening

Indexed keywords

BIOACTIVITY; MOLECULAR MODELING; PHARMACODYNAMICS;

ADMET PROPERTIES; MOLECULAR DOCKING; PHARMACOPHORE MODELING; RMLB; RMLC; VIRTUAL SCREENING;

DIAGNOSIS;

BACTERIAL PROTEIN; CHEMICALS AND DRUGS; MYCOBACTERIUM TUBERCULOSIS CELL WALL SYNTHESIS INHIBITOR; RMLB PROTEIN; RMLC PROTEIN; UNCLASSIFIED DRUG; DTDP-4-KETORHAMNOSE 3,5-EPIMERASE; EPIMERASE; TUBERCULOSTATIC AGENT;

ARTICLE; CELL WALL; DRUG ABSORPTION; DRUG DISTRIBUTION; DRUG EXCRETION; DRUG IDENTIFICATION; DRUG METABOLISM; DRUG SCREENING; DRUG SOLUBILITY; IN VITRO STUDY; LIVER TOXICITY; MOLECULAR DOCKING; MYCOBACTERIUM TUBERCULOSIS; NONHUMAN; PHARMACOPHORE; PRIORITY JOURNAL; VIRTUAL SCREENING; ANTAGONISTS AND INHIBITORS; CHEMISTRY; CYTOLOGY; DRUG DEVELOPMENT; DRUG EFFECTS; METABOLISM; PROCEDURES; PROTEIN CONFORMATION;

BACTERIA (MICROORGANISMS); CORYNEBACTERINEAE; MYCOBACTERIUM TUBERCULOSIS;

ANTITUBERCULAR AGENTS; BACTERIAL PROTEINS; CARBOHYDRATE EPIMERASES; CELL WALL; DRUG DISCOVERY; MOLECULAR DOCKING SIMULATION; MYCOBACTERIUM TUBERCULOSIS; PROTEIN CONFORMATION;

EID: 84922348054     PISSN: 00104825     EISSN: 18790534     Source Type: Journal    
DOI: 10.1016/j.compbiomed.2014.12.020     Document Type: Article

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